USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 550 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 THR OG1 : rot 130:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 151:sc= -0.669 (180deg=-1.22) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.722 X(o=-0.72,f=-0.68) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0336 USER MOD Single : A 28 SER OG : rot -75:sc= 0.575 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot -120:sc= -1.44 USER MOD Single : A 45 MET CE :methyl -155:sc= -0.226 (180deg=-0.94) USER MOD Single : A 62 THR OG1 : rot -68:sc= 1.24 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0213 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -155:sc= -0.12 (180deg=-0.619) USER MOD Single : A 77 SER OG : rot 83:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 29 N ASP A 3 1.292 -6.147 -0.494 1.00 0.00 N ATOM 30 CA ASP A 3 0.690 -7.132 0.398 1.00 0.00 C ATOM 31 C ASP A 3 1.413 -7.162 1.741 1.00 0.00 C ATOM 32 O ASP A 3 0.795 -7.364 2.787 1.00 0.00 O ATOM 33 CB ASP A 3 0.723 -8.520 -0.244 1.00 0.00 C ATOM 34 CG ASP A 3 -0.232 -8.639 -1.415 1.00 0.00 C ATOM 35 OD1 ASP A 3 -1.456 -8.707 -1.177 1.00 0.00 O ATOM 36 OD2 ASP A 3 0.244 -8.666 -2.569 1.00 0.00 O ATOM 0 HA ASP A 3 -0.347 -6.844 0.570 1.00 0.00 H new ATOM 0 HB2 ASP A 3 1.736 -8.737 -0.582 1.00 0.00 H new ATOM 0 HB3 ASP A 3 0.470 -9.270 0.505 1.00 0.00 H new ATOM 41 N THR A 4 2.726 -6.959 1.706 1.00 0.00 N ATOM 42 CA THR A 4 3.533 -6.965 2.919 1.00 0.00 C ATOM 43 C THR A 4 3.263 -5.726 3.765 1.00 0.00 C ATOM 44 O THR A 4 2.918 -5.829 4.941 1.00 0.00 O ATOM 45 CB THR A 4 5.037 -7.032 2.593 1.00 0.00 C ATOM 46 OG1 THR A 4 5.291 -8.098 1.671 1.00 0.00 O ATOM 47 CG2 THR A 4 5.856 -7.243 3.857 1.00 0.00 C ATOM 0 H THR A 4 3.253 -6.788 0.850 1.00 0.00 H new ATOM 0 HA THR A 4 3.251 -7.855 3.482 1.00 0.00 H new ATOM 0 HB THR A 4 5.331 -6.084 2.143 1.00 0.00 H new ATOM 0 HG1 THR A 4 5.829 -7.763 0.923 1.00 0.00 H new ATOM 0 HG21 THR A 4 6.915 -7.287 3.601 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.683 -6.416 4.545 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.558 -8.178 4.332 1.00 0.00 H new ATOM 55 N ALA A 5 3.423 -4.554 3.158 1.00 0.00 N ATOM 56 CA ALA A 5 3.194 -3.295 3.855 1.00 0.00 C ATOM 57 C ALA A 5 1.828 -3.284 4.532 1.00 0.00 C ATOM 58 O ALA A 5 1.724 -3.051 5.736 1.00 0.00 O ATOM 59 CB ALA A 5 3.316 -2.127 2.888 1.00 0.00 C ATOM 0 H ALA A 5 3.710 -4.451 2.185 1.00 0.00 H new ATOM 0 HA ALA A 5 3.955 -3.192 4.629 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.143 -1.193 3.422 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.316 -2.117 2.454 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.577 -2.233 2.094 1.00 0.00 H new ATOM 65 N GLU A 6 0.782 -3.535 3.750 1.00 0.00 N ATOM 66 CA GLU A 6 -0.578 -3.552 4.276 1.00 0.00 C ATOM 67 C GLU A 6 -0.679 -4.464 5.495 1.00 0.00 C ATOM 68 O GLU A 6 -1.234 -4.082 6.525 1.00 0.00 O ATOM 69 CB GLU A 6 -1.560 -4.013 3.197 1.00 0.00 C ATOM 70 CG GLU A 6 -1.948 -2.917 2.219 1.00 0.00 C ATOM 71 CD GLU A 6 -3.189 -3.262 1.419 1.00 0.00 C ATOM 72 OE1 GLU A 6 -3.729 -4.371 1.612 1.00 0.00 O ATOM 73 OE2 GLU A 6 -3.620 -2.423 0.600 1.00 0.00 O ATOM 0 H GLU A 6 0.851 -3.729 2.751 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.835 -2.538 4.581 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.117 -4.841 2.644 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.461 -4.396 3.677 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -2.119 -1.990 2.767 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.119 -2.735 1.536 1.00 0.00 H new ATOM 80 N ARG A 7 -0.139 -5.672 5.369 1.00 0.00 N ATOM 81 CA ARG A 7 -0.169 -6.640 6.458 1.00 0.00 C ATOM 82 C ARG A 7 0.464 -6.059 7.719 1.00 0.00 C ATOM 83 O ARG A 7 -0.082 -6.185 8.816 1.00 0.00 O ATOM 84 CB ARG A 7 0.561 -7.921 6.051 1.00 0.00 C ATOM 85 CG ARG A 7 -0.293 -8.875 5.232 1.00 0.00 C ATOM 86 CD ARG A 7 -1.233 -9.680 6.116 1.00 0.00 C ATOM 87 NE ARG A 7 -2.298 -10.317 5.345 1.00 0.00 N ATOM 88 CZ ARG A 7 -3.383 -9.677 4.924 1.00 0.00 C ATOM 89 NH1 ARG A 7 -3.546 -8.390 5.197 1.00 0.00 N ATOM 90 NH2 ARG A 7 -4.308 -10.326 4.227 1.00 0.00 N ATOM 0 H ARG A 7 0.325 -6.003 4.523 1.00 0.00 H new ATOM 0 HA ARG A 7 -1.211 -6.877 6.671 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.448 -7.656 5.476 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.905 -8.434 6.949 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -0.873 -8.310 4.502 1.00 0.00 H new ATOM 0 HG3 ARG A 7 0.351 -9.553 4.672 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -0.665 -10.443 6.649 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.672 -9.025 6.869 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.203 -11.307 5.118 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -2.837 -7.888 5.732 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -4.380 -7.901 4.872 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -4.185 -11.316 4.015 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -5.141 -9.834 3.904 1.00 0.00 H new ATOM 104 N VAL A 8 1.620 -5.424 7.556 1.00 0.00 N ATOM 105 CA VAL A 8 2.328 -4.823 8.680 1.00 0.00 C ATOM 106 C VAL A 8 1.487 -3.738 9.343 1.00 0.00 C ATOM 107 O VAL A 8 1.093 -3.863 10.503 1.00 0.00 O ATOM 108 CB VAL A 8 3.672 -4.216 8.237 1.00 0.00 C ATOM 109 CG1 VAL A 8 4.380 -3.567 9.417 1.00 0.00 C ATOM 110 CG2 VAL A 8 4.552 -5.280 7.597 1.00 0.00 C ATOM 0 H VAL A 8 2.086 -5.312 6.656 1.00 0.00 H new ATOM 0 HA VAL A 8 2.517 -5.621 9.398 1.00 0.00 H new ATOM 0 HB VAL A 8 3.474 -3.444 7.493 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.328 -3.144 9.085 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.753 -2.775 9.827 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.567 -4.316 10.186 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.498 -4.833 7.290 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.743 -6.075 8.317 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.046 -5.694 6.725 1.00 0.00 H new ATOM 120 N LYS A 9 1.213 -2.672 8.599 1.00 0.00 N ATOM 121 CA LYS A 9 0.417 -1.564 9.112 1.00 0.00 C ATOM 122 C LYS A 9 -0.912 -2.062 9.671 1.00 0.00 C ATOM 123 O LYS A 9 -1.473 -1.466 10.591 1.00 0.00 O ATOM 124 CB LYS A 9 0.164 -0.536 8.007 1.00 0.00 C ATOM 125 CG LYS A 9 -0.686 -1.066 6.865 1.00 0.00 C ATOM 126 CD LYS A 9 -1.123 0.049 5.930 1.00 0.00 C ATOM 127 CE LYS A 9 0.063 0.661 5.201 1.00 0.00 C ATOM 128 NZ LYS A 9 0.590 -0.243 4.141 1.00 0.00 N ATOM 0 H LYS A 9 1.531 -2.552 7.637 1.00 0.00 H new ATOM 0 HA LYS A 9 0.976 -1.091 9.919 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.327 0.336 8.439 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.122 -0.199 7.610 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.121 -1.811 6.305 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.565 -1.569 7.268 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.836 -0.342 5.204 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.640 0.822 6.500 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.236 1.609 4.754 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.855 0.881 5.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.016 0.325 3.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.311 -0.872 4.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.188 -0.813 3.753 1.00 0.00 H new ATOM 142 N LYS A 10 -1.410 -3.159 9.111 1.00 0.00 N ATOM 143 CA LYS A 10 -2.672 -3.740 9.555 1.00 0.00 C ATOM 144 C LYS A 10 -2.548 -4.293 10.971 1.00 0.00 C ATOM 145 O LYS A 10 -3.289 -3.895 11.870 1.00 0.00 O ATOM 146 CB LYS A 10 -3.110 -4.851 8.598 1.00 0.00 C ATOM 147 CG LYS A 10 -4.352 -5.595 9.058 1.00 0.00 C ATOM 148 CD LYS A 10 -4.815 -6.602 8.019 1.00 0.00 C ATOM 149 CE LYS A 10 -6.083 -7.317 8.462 1.00 0.00 C ATOM 150 NZ LYS A 10 -5.799 -8.380 9.465 1.00 0.00 N ATOM 0 H LYS A 10 -0.959 -3.664 8.348 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.426 -2.952 9.557 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.299 -4.419 7.615 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.292 -5.563 8.482 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.143 -6.109 9.996 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.152 -4.882 9.257 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.995 -6.093 7.072 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.026 -7.333 7.843 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.778 -6.593 8.887 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.573 -7.758 7.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.688 -8.843 9.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.156 -9.085 9.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.355 -7.956 10.304 1.00 0.00 H new ATOM 164 N ILE A 11 -1.606 -5.211 11.162 1.00 0.00 N ATOM 165 CA ILE A 11 -1.384 -5.816 12.469 1.00 0.00 C ATOM 166 C ILE A 11 -0.989 -4.766 13.502 1.00 0.00 C ATOM 167 O ILE A 11 -1.282 -4.905 14.689 1.00 0.00 O ATOM 168 CB ILE A 11 -0.290 -6.898 12.410 1.00 0.00 C ATOM 169 CG1 ILE A 11 -0.672 -7.987 11.406 1.00 0.00 C ATOM 170 CG2 ILE A 11 -0.063 -7.498 13.790 1.00 0.00 C ATOM 171 CD1 ILE A 11 0.497 -8.840 10.965 1.00 0.00 C ATOM 0 H ILE A 11 -0.985 -5.552 10.428 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.325 -6.278 12.766 1.00 0.00 H new ATOM 0 HB ILE A 11 0.640 -6.435 12.079 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.432 -8.629 11.851 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.122 -7.520 10.530 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.713 -8.261 13.732 1.00 0.00 H new ATOM 0 HG22 ILE A 11 0.250 -6.715 14.480 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.989 -7.949 14.148 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.152 -9.591 10.254 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.249 -8.209 10.491 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.933 -9.336 11.832 1.00 0.00 H new ATOM 183 N VAL A 12 -0.323 -3.712 13.040 1.00 0.00 N ATOM 184 CA VAL A 12 0.110 -2.635 13.923 1.00 0.00 C ATOM 185 C VAL A 12 -1.079 -1.816 14.415 1.00 0.00 C ATOM 186 O VAL A 12 -1.204 -1.540 15.608 1.00 0.00 O ATOM 187 CB VAL A 12 1.107 -1.697 13.217 1.00 0.00 C ATOM 188 CG1 VAL A 12 1.518 -0.561 14.141 1.00 0.00 C ATOM 189 CG2 VAL A 12 2.324 -2.476 12.741 1.00 0.00 C ATOM 0 H VAL A 12 -0.072 -3.581 12.060 1.00 0.00 H new ATOM 0 HA VAL A 12 0.603 -3.103 14.775 1.00 0.00 H new ATOM 0 HB VAL A 12 0.617 -1.264 12.345 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.223 0.091 13.625 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.636 0.012 14.428 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.990 -0.971 15.034 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.018 -1.798 12.244 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.817 -2.938 13.596 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.010 -3.250 12.041 1.00 0.00 H new ATOM 199 N VAL A 13 -1.950 -1.432 13.488 1.00 0.00 N ATOM 200 CA VAL A 13 -3.131 -0.646 13.827 1.00 0.00 C ATOM 201 C VAL A 13 -4.136 -1.477 14.617 1.00 0.00 C ATOM 202 O VAL A 13 -4.892 -0.946 15.430 1.00 0.00 O ATOM 203 CB VAL A 13 -3.818 -0.092 12.565 1.00 0.00 C ATOM 204 CG1 VAL A 13 -5.077 0.677 12.936 1.00 0.00 C ATOM 205 CG2 VAL A 13 -2.858 0.787 11.778 1.00 0.00 C ATOM 0 H VAL A 13 -1.861 -1.652 12.496 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.791 0.188 14.441 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.107 -0.931 11.932 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.549 1.061 12.031 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.770 0.013 13.453 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.816 1.509 13.590 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.360 1.170 10.890 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.535 1.622 12.400 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.989 0.200 11.479 1.00 0.00 H new ATOM 215 N GLU A 14 -4.137 -2.784 14.372 1.00 0.00 N ATOM 216 CA GLU A 14 -5.050 -3.688 15.061 1.00 0.00 C ATOM 217 C GLU A 14 -4.517 -4.051 16.444 1.00 0.00 C ATOM 218 O GLU A 14 -5.281 -4.401 17.344 1.00 0.00 O ATOM 219 CB GLU A 14 -5.264 -4.959 14.235 1.00 0.00 C ATOM 220 CG GLU A 14 -6.598 -5.638 14.498 1.00 0.00 C ATOM 221 CD GLU A 14 -6.563 -7.125 14.202 1.00 0.00 C ATOM 222 OE1 GLU A 14 -6.550 -7.493 13.009 1.00 0.00 O ATOM 223 OE2 GLU A 14 -6.549 -7.920 15.165 1.00 0.00 O ATOM 0 H GLU A 14 -3.517 -3.239 13.703 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.005 -3.176 15.182 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.195 -4.710 13.176 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.459 -5.662 14.450 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.880 -5.485 15.540 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.368 -5.167 13.887 1.00 0.00 H new ATOM 230 N HIS A 15 -3.200 -3.965 16.605 1.00 0.00 N ATOM 231 CA HIS A 15 -2.563 -4.284 17.878 1.00 0.00 C ATOM 232 C HIS A 15 -2.473 -3.046 18.765 1.00 0.00 C ATOM 233 O HIS A 15 -2.938 -3.053 19.906 1.00 0.00 O ATOM 234 CB HIS A 15 -1.166 -4.860 17.643 1.00 0.00 C ATOM 235 CG HIS A 15 -1.171 -6.313 17.282 1.00 0.00 C ATOM 236 ND1 HIS A 15 -2.291 -6.970 16.817 1.00 0.00 N ATOM 237 CD2 HIS A 15 -0.182 -7.238 17.318 1.00 0.00 C ATOM 238 CE1 HIS A 15 -1.991 -8.236 16.584 1.00 0.00 C ATOM 239 NE2 HIS A 15 -0.718 -8.424 16.880 1.00 0.00 N ATOM 0 H HIS A 15 -2.554 -3.677 15.870 1.00 0.00 H new ATOM 0 HA HIS A 15 -3.175 -5.030 18.386 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -0.679 -4.298 16.846 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -0.568 -4.720 18.543 1.00 0.00 H new ATOM 0 HD2 HIS A 15 0.838 -7.073 17.633 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -2.671 -8.989 16.214 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -0.214 -9.307 16.797 1.00 0.00 H new ATOM 247 N LEU A 16 -1.873 -1.986 18.235 1.00 0.00 N ATOM 248 CA LEU A 16 -1.722 -0.741 18.979 1.00 0.00 C ATOM 249 C LEU A 16 -3.050 0.004 19.070 1.00 0.00 C ATOM 250 O LEU A 16 -3.290 0.753 20.016 1.00 0.00 O ATOM 251 CB LEU A 16 -0.669 0.148 18.315 1.00 0.00 C ATOM 252 CG LEU A 16 0.781 -0.105 18.729 1.00 0.00 C ATOM 253 CD1 LEU A 16 1.130 -1.578 18.577 1.00 0.00 C ATOM 254 CD2 LEU A 16 1.728 0.756 17.906 1.00 0.00 C ATOM 0 H LEU A 16 -1.483 -1.964 17.293 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.396 -0.987 19.989 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.745 0.022 17.235 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.912 1.188 18.532 1.00 0.00 H new ATOM 0 HG LEU A 16 0.892 0.168 19.778 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.166 -1.739 18.876 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.473 -2.175 19.209 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.002 -1.877 17.537 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.756 0.563 18.214 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.614 0.514 16.849 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.493 1.809 18.064 1.00 0.00 H new ATOM 266 N GLY A 17 -3.911 -0.209 18.079 1.00 0.00 N ATOM 267 CA GLY A 17 -5.205 0.448 18.067 1.00 0.00 C ATOM 268 C GLY A 17 -5.098 1.933 17.781 1.00 0.00 C ATOM 269 O GLY A 17 -5.889 2.729 18.289 1.00 0.00 O ATOM 0 H GLY A 17 -3.735 -0.825 17.285 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.839 -0.019 17.314 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.693 0.301 19.031 1.00 0.00 H new ATOM 273 N VAL A 18 -4.117 2.309 16.967 1.00 0.00 N ATOM 274 CA VAL A 18 -3.910 3.708 16.614 1.00 0.00 C ATOM 275 C VAL A 18 -4.342 3.983 15.178 1.00 0.00 C ATOM 276 O VAL A 18 -4.881 3.107 14.503 1.00 0.00 O ATOM 277 CB VAL A 18 -2.434 4.116 16.782 1.00 0.00 C ATOM 278 CG1 VAL A 18 -1.979 3.896 18.217 1.00 0.00 C ATOM 279 CG2 VAL A 18 -1.554 3.344 15.811 1.00 0.00 C ATOM 0 H VAL A 18 -3.453 1.664 16.539 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.523 4.300 17.294 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.341 5.178 16.555 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.934 4.190 18.316 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.591 4.498 18.889 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.086 2.842 18.475 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.515 3.645 15.944 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.650 2.275 16.004 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.866 3.558 14.789 1.00 0.00 H new ATOM 289 N ASP A 19 -4.100 5.206 14.718 1.00 0.00 N ATOM 290 CA ASP A 19 -4.462 5.597 13.360 1.00 0.00 C ATOM 291 C ASP A 19 -3.493 4.998 12.346 1.00 0.00 C ATOM 292 O ASP A 19 -2.295 4.890 12.606 1.00 0.00 O ATOM 293 CB ASP A 19 -4.477 7.121 13.233 1.00 0.00 C ATOM 294 CG ASP A 19 -5.435 7.603 12.161 1.00 0.00 C ATOM 295 OD1 ASP A 19 -6.662 7.503 12.374 1.00 0.00 O ATOM 296 OD2 ASP A 19 -4.959 8.081 11.111 1.00 0.00 O ATOM 0 H ASP A 19 -3.655 5.943 15.265 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.461 5.213 13.151 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.757 7.560 14.191 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -3.472 7.473 13.003 1.00 0.00 H new ATOM 301 N ALA A 20 -4.020 4.610 11.189 1.00 0.00 N ATOM 302 CA ALA A 20 -3.202 4.024 10.135 1.00 0.00 C ATOM 303 C ALA A 20 -2.418 5.097 9.387 1.00 0.00 C ATOM 304 O ALA A 20 -1.305 4.854 8.921 1.00 0.00 O ATOM 305 CB ALA A 20 -4.073 3.234 9.169 1.00 0.00 C ATOM 0 H ALA A 20 -5.010 4.691 10.958 1.00 0.00 H new ATOM 0 HA ALA A 20 -2.486 3.346 10.600 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.449 2.802 8.387 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.583 2.436 9.708 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.811 3.898 8.719 1.00 0.00 H new ATOM 311 N ASP A 21 -3.006 6.283 9.276 1.00 0.00 N ATOM 312 CA ASP A 21 -2.362 7.394 8.585 1.00 0.00 C ATOM 313 C ASP A 21 -0.982 7.672 9.172 1.00 0.00 C ATOM 314 O ASP A 21 -0.060 8.069 8.458 1.00 0.00 O ATOM 315 CB ASP A 21 -3.230 8.650 8.673 1.00 0.00 C ATOM 316 CG ASP A 21 -2.747 9.754 7.753 1.00 0.00 C ATOM 317 OD1 ASP A 21 -1.913 10.571 8.194 1.00 0.00 O ATOM 318 OD2 ASP A 21 -3.205 9.801 6.592 1.00 0.00 O ATOM 0 H ASP A 21 -3.928 6.500 9.656 1.00 0.00 H new ATOM 0 HA ASP A 21 -2.243 7.118 7.537 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.259 8.395 8.420 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.235 9.014 9.701 1.00 0.00 H new ATOM 323 N LYS A 22 -0.846 7.463 10.477 1.00 0.00 N ATOM 324 CA LYS A 22 0.421 7.691 11.161 1.00 0.00 C ATOM 325 C LYS A 22 1.450 6.638 10.765 1.00 0.00 C ATOM 326 O LYS A 22 2.656 6.875 10.840 1.00 0.00 O ATOM 327 CB LYS A 22 0.215 7.674 12.678 1.00 0.00 C ATOM 328 CG LYS A 22 -0.639 8.821 13.189 1.00 0.00 C ATOM 329 CD LYS A 22 -0.468 9.021 14.685 1.00 0.00 C ATOM 330 CE LYS A 22 -1.125 10.309 15.155 1.00 0.00 C ATOM 331 NZ LYS A 22 -0.186 11.463 15.099 1.00 0.00 N ATOM 0 H LYS A 22 -1.599 7.136 11.083 1.00 0.00 H new ATOM 0 HA LYS A 22 0.796 8.670 10.862 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.251 6.731 12.962 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.188 7.710 13.169 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.369 9.738 12.665 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.687 8.623 12.965 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.902 8.175 15.218 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.594 9.042 14.931 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.996 10.519 14.535 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.484 10.182 16.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.672 12.322 15.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.634 11.274 15.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.137 11.601 14.120 1.00 0.00 H new ATOM 345 N VAL A 23 0.967 5.474 10.343 1.00 0.00 N ATOM 346 CA VAL A 23 1.845 4.385 9.932 1.00 0.00 C ATOM 347 C VAL A 23 2.474 4.669 8.573 1.00 0.00 C ATOM 348 O VAL A 23 2.082 4.088 7.561 1.00 0.00 O ATOM 349 CB VAL A 23 1.086 3.046 9.864 1.00 0.00 C ATOM 350 CG1 VAL A 23 2.046 1.901 9.581 1.00 0.00 C ATOM 351 CG2 VAL A 23 0.320 2.803 11.156 1.00 0.00 C ATOM 0 H VAL A 23 -0.028 5.261 10.277 1.00 0.00 H new ATOM 0 HA VAL A 23 2.630 4.311 10.685 1.00 0.00 H new ATOM 0 HB VAL A 23 0.368 3.096 9.046 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.491 0.964 9.537 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.546 2.072 8.628 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.790 1.845 10.376 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.211 1.853 11.091 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.018 2.772 11.993 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.397 3.609 11.311 1.00 0.00 H new ATOM 361 N THR A 24 3.454 5.567 8.557 1.00 0.00 N ATOM 362 CA THR A 24 4.138 5.930 7.322 1.00 0.00 C ATOM 363 C THR A 24 5.532 5.314 7.264 1.00 0.00 C ATOM 364 O THR A 24 6.067 4.873 8.280 1.00 0.00 O ATOM 365 CB THR A 24 4.258 7.458 7.174 1.00 0.00 C ATOM 366 OG1 THR A 24 5.055 7.992 8.237 1.00 0.00 O ATOM 367 CG2 THR A 24 2.885 8.112 7.184 1.00 0.00 C ATOM 0 H THR A 24 3.792 6.056 9.386 1.00 0.00 H new ATOM 0 HA THR A 24 3.536 5.539 6.501 1.00 0.00 H new ATOM 0 HB THR A 24 4.737 7.672 6.219 1.00 0.00 H new ATOM 0 HG1 THR A 24 5.128 8.964 8.135 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.995 9.191 7.078 1.00 0.00 H new ATOM 0 HG22 THR A 24 2.292 7.725 6.356 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.383 7.889 8.125 1.00 0.00 H new ATOM 375 N GLU A 25 6.114 5.289 6.069 1.00 0.00 N ATOM 376 CA GLU A 25 7.446 4.727 5.881 1.00 0.00 C ATOM 377 C GLU A 25 8.439 5.341 6.862 1.00 0.00 C ATOM 378 O GLU A 25 9.354 4.670 7.338 1.00 0.00 O ATOM 379 CB GLU A 25 7.922 4.957 4.445 1.00 0.00 C ATOM 380 CG GLU A 25 7.083 4.237 3.402 1.00 0.00 C ATOM 381 CD GLU A 25 5.901 5.063 2.933 1.00 0.00 C ATOM 382 OE1 GLU A 25 6.106 5.978 2.108 1.00 0.00 O ATOM 383 OE2 GLU A 25 4.771 4.793 3.390 1.00 0.00 O ATOM 0 H GLU A 25 5.684 5.651 5.218 1.00 0.00 H new ATOM 0 HA GLU A 25 7.391 3.655 6.071 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.909 6.026 4.234 1.00 0.00 H new ATOM 0 HB3 GLU A 25 8.957 4.627 4.357 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.710 3.988 2.546 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.722 3.296 3.818 1.00 0.00 H new ATOM 390 N GLY A 26 8.252 6.623 7.161 1.00 0.00 N ATOM 391 CA GLY A 26 9.139 7.307 8.084 1.00 0.00 C ATOM 392 C GLY A 26 8.542 7.441 9.471 1.00 0.00 C ATOM 393 O GLY A 26 8.801 8.417 10.174 1.00 0.00 O ATOM 0 H GLY A 26 7.502 7.200 6.780 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.081 6.763 8.148 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.370 8.298 7.694 1.00 0.00 H new ATOM 397 N ALA A 27 7.738 6.458 9.865 1.00 0.00 N ATOM 398 CA ALA A 27 7.103 6.471 11.176 1.00 0.00 C ATOM 399 C ALA A 27 7.851 5.575 12.157 1.00 0.00 C ATOM 400 O ALA A 27 7.834 4.350 12.032 1.00 0.00 O ATOM 401 CB ALA A 27 5.649 6.034 11.063 1.00 0.00 C ATOM 0 H ALA A 27 7.512 5.643 9.295 1.00 0.00 H new ATOM 0 HA ALA A 27 7.136 7.491 11.558 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.187 6.048 12.050 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.114 6.716 10.402 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.603 5.024 10.656 1.00 0.00 H new ATOM 407 N SER A 28 8.508 6.193 13.134 1.00 0.00 N ATOM 408 CA SER A 28 9.267 5.451 14.134 1.00 0.00 C ATOM 409 C SER A 28 8.389 5.101 15.332 1.00 0.00 C ATOM 410 O SER A 28 7.899 5.985 16.035 1.00 0.00 O ATOM 411 CB SER A 28 10.477 6.265 14.594 1.00 0.00 C ATOM 412 OG SER A 28 10.076 7.389 15.359 1.00 0.00 O ATOM 0 H SER A 28 8.530 7.206 13.254 1.00 0.00 H new ATOM 0 HA SER A 28 9.615 4.524 13.677 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.139 5.634 15.188 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.047 6.597 13.726 1.00 0.00 H new ATOM 0 HG SER A 28 9.709 8.076 14.764 1.00 0.00 H new ATOM 418 N PHE A 29 8.196 3.806 15.558 1.00 0.00 N ATOM 419 CA PHE A 29 7.378 3.338 16.670 1.00 0.00 C ATOM 420 C PHE A 29 7.982 3.760 18.006 1.00 0.00 C ATOM 421 O PHE A 29 7.330 3.680 19.048 1.00 0.00 O ATOM 422 CB PHE A 29 7.235 1.816 16.621 1.00 0.00 C ATOM 423 CG PHE A 29 6.905 1.289 15.254 1.00 0.00 C ATOM 424 CD1 PHE A 29 5.602 1.316 14.782 1.00 0.00 C ATOM 425 CD2 PHE A 29 7.897 0.766 14.440 1.00 0.00 C ATOM 426 CE1 PHE A 29 5.295 0.832 13.524 1.00 0.00 C ATOM 427 CE2 PHE A 29 7.596 0.281 13.181 1.00 0.00 C ATOM 428 CZ PHE A 29 6.294 0.313 12.723 1.00 0.00 C ATOM 0 H PHE A 29 8.595 3.062 14.986 1.00 0.00 H new ATOM 0 HA PHE A 29 6.391 3.792 16.578 1.00 0.00 H new ATOM 0 HB2 PHE A 29 8.164 1.361 16.963 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.455 1.510 17.318 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.817 1.720 15.404 1.00 0.00 H new ATOM 0 HD2 PHE A 29 8.917 0.737 14.793 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.276 0.860 13.168 1.00 0.00 H new ATOM 0 HE2 PHE A 29 8.379 -0.123 12.556 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.057 -0.067 11.740 1.00 0.00 H new ATOM 438 N ILE A 30 9.232 4.209 17.968 1.00 0.00 N ATOM 439 CA ILE A 30 9.925 4.644 19.174 1.00 0.00 C ATOM 440 C ILE A 30 9.597 6.097 19.503 1.00 0.00 C ATOM 441 O ILE A 30 9.175 6.412 20.616 1.00 0.00 O ATOM 442 CB ILE A 30 11.451 4.494 19.032 1.00 0.00 C ATOM 443 CG1 ILE A 30 11.821 3.029 18.795 1.00 0.00 C ATOM 444 CG2 ILE A 30 12.153 5.030 20.271 1.00 0.00 C ATOM 445 CD1 ILE A 30 11.346 2.101 19.891 1.00 0.00 C ATOM 0 H ILE A 30 9.786 4.281 17.114 1.00 0.00 H new ATOM 0 HA ILE A 30 9.579 4.003 19.985 1.00 0.00 H new ATOM 0 HB ILE A 30 11.780 5.076 18.171 1.00 0.00 H new ATOM 0 HG12 ILE A 30 11.396 2.704 17.845 1.00 0.00 H new ATOM 0 HG13 ILE A 30 12.904 2.946 18.704 1.00 0.00 H new ATOM 0 HG21 ILE A 30 13.231 4.917 20.156 1.00 0.00 H new ATOM 0 HG22 ILE A 30 11.910 6.085 20.399 1.00 0.00 H new ATOM 0 HG23 ILE A 30 11.821 4.472 21.147 1.00 0.00 H new ATOM 0 HD11 ILE A 30 11.643 1.079 19.657 1.00 0.00 H new ATOM 0 HD12 ILE A 30 11.792 2.400 20.840 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.260 2.154 19.968 1.00 0.00 H new ATOM 457 N ASP A 31 9.791 6.977 18.527 1.00 0.00 N ATOM 458 CA ASP A 31 9.512 8.397 18.711 1.00 0.00 C ATOM 459 C ASP A 31 8.111 8.744 18.219 1.00 0.00 C ATOM 460 O ASP A 31 7.268 9.204 18.990 1.00 0.00 O ATOM 461 CB ASP A 31 10.550 9.242 17.971 1.00 0.00 C ATOM 462 CG ASP A 31 11.279 10.201 18.892 1.00 0.00 C ATOM 463 OD1 ASP A 31 10.658 10.677 19.865 1.00 0.00 O ATOM 464 OD2 ASP A 31 12.471 10.474 18.640 1.00 0.00 O ATOM 0 H ASP A 31 10.140 6.732 17.600 1.00 0.00 H new ATOM 0 HA ASP A 31 9.568 8.618 19.777 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.274 8.584 17.490 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.057 9.807 17.180 1.00 0.00 H new ATOM 469 N ASP A 32 7.869 8.522 16.932 1.00 0.00 N ATOM 470 CA ASP A 32 6.570 8.811 16.336 1.00 0.00 C ATOM 471 C ASP A 32 5.439 8.351 17.251 1.00 0.00 C ATOM 472 O ASP A 32 4.446 9.057 17.431 1.00 0.00 O ATOM 473 CB ASP A 32 6.448 8.132 14.971 1.00 0.00 C ATOM 474 CG ASP A 32 5.457 8.833 14.063 1.00 0.00 C ATOM 475 OD1 ASP A 32 5.799 9.908 13.529 1.00 0.00 O ATOM 476 OD2 ASP A 32 4.338 8.306 13.887 1.00 0.00 O ATOM 0 H ASP A 32 8.556 8.142 16.281 1.00 0.00 H new ATOM 0 HA ASP A 32 6.490 9.890 16.203 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.426 8.111 14.490 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.139 7.096 15.110 1.00 0.00 H new ATOM 481 N LEU A 33 5.595 7.163 17.824 1.00 0.00 N ATOM 482 CA LEU A 33 4.586 6.607 18.719 1.00 0.00 C ATOM 483 C LEU A 33 4.983 6.807 20.178 1.00 0.00 C ATOM 484 O LEU A 33 4.155 6.685 21.080 1.00 0.00 O ATOM 485 CB LEU A 33 4.387 5.117 18.433 1.00 0.00 C ATOM 486 CG LEU A 33 3.944 4.760 17.014 1.00 0.00 C ATOM 487 CD1 LEU A 33 3.477 3.314 16.949 1.00 0.00 C ATOM 488 CD2 LEU A 33 2.842 5.699 16.547 1.00 0.00 C ATOM 0 H LEU A 33 6.410 6.566 17.685 1.00 0.00 H new ATOM 0 HA LEU A 33 3.648 7.133 18.541 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.323 4.599 18.641 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.646 4.729 19.132 1.00 0.00 H new ATOM 0 HG LEU A 33 4.799 4.875 16.347 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.165 3.078 15.932 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.294 2.654 17.241 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.636 3.172 17.628 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.539 5.430 15.535 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.986 5.616 17.216 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.211 6.725 16.555 1.00 0.00 H new ATOM 500 N GLY A 34 6.256 7.119 20.403 1.00 0.00 N ATOM 501 CA GLY A 34 6.740 7.334 21.754 1.00 0.00 C ATOM 502 C GLY A 34 6.847 6.045 22.544 1.00 0.00 C ATOM 503 O GLY A 34 6.612 6.027 23.752 1.00 0.00 O ATOM 0 H GLY A 34 6.961 7.227 19.673 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.718 7.814 21.714 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.069 8.019 22.272 1.00 0.00 H new ATOM 507 N ALA A 35 7.200 4.961 21.860 1.00 0.00 N ATOM 508 CA ALA A 35 7.338 3.662 22.505 1.00 0.00 C ATOM 509 C ALA A 35 8.803 3.335 22.774 1.00 0.00 C ATOM 510 O ALA A 35 9.701 4.035 22.307 1.00 0.00 O ATOM 511 CB ALA A 35 6.702 2.577 21.648 1.00 0.00 C ATOM 0 H ALA A 35 7.395 4.958 20.859 1.00 0.00 H new ATOM 0 HA ALA A 35 6.820 3.703 23.463 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.812 1.612 22.142 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.643 2.796 21.511 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.194 2.546 20.676 1.00 0.00 H new ATOM 517 N ASP A 36 9.036 2.267 23.530 1.00 0.00 N ATOM 518 CA ASP A 36 10.393 1.848 23.861 1.00 0.00 C ATOM 519 C ASP A 36 10.771 0.581 23.100 1.00 0.00 C ATOM 520 O ASP A 36 9.958 0.021 22.364 1.00 0.00 O ATOM 521 CB ASP A 36 10.524 1.611 25.366 1.00 0.00 C ATOM 522 CG ASP A 36 10.818 2.887 26.130 1.00 0.00 C ATOM 523 OD1 ASP A 36 10.408 3.968 25.658 1.00 0.00 O ATOM 524 OD2 ASP A 36 11.458 2.805 27.199 1.00 0.00 O ATOM 0 H ASP A 36 8.304 1.677 23.924 1.00 0.00 H new ATOM 0 HA ASP A 36 11.075 2.645 23.566 1.00 0.00 H new ATOM 0 HB2 ASP A 36 9.601 1.170 25.743 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.320 0.890 25.549 1.00 0.00 H new ATOM 529 N SER A 37 12.010 0.135 23.281 1.00 0.00 N ATOM 530 CA SER A 37 12.497 -1.063 22.607 1.00 0.00 C ATOM 531 C SER A 37 11.553 -2.239 22.840 1.00 0.00 C ATOM 532 O SER A 37 11.438 -3.134 22.001 1.00 0.00 O ATOM 533 CB SER A 37 13.901 -1.416 23.101 1.00 0.00 C ATOM 534 OG SER A 37 14.270 -2.724 22.698 1.00 0.00 O ATOM 0 H SER A 37 12.695 0.585 23.889 1.00 0.00 H new ATOM 0 HA SER A 37 12.537 -0.858 21.537 1.00 0.00 H new ATOM 0 HB2 SER A 37 14.619 -0.695 22.710 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.936 -1.343 24.188 1.00 0.00 H new ATOM 0 HG SER A 37 15.172 -2.925 23.025 1.00 0.00 H new ATOM 540 N LEU A 38 10.880 -2.231 23.985 1.00 0.00 N ATOM 541 CA LEU A 38 9.945 -3.297 24.330 1.00 0.00 C ATOM 542 C LEU A 38 8.891 -3.470 23.241 1.00 0.00 C ATOM 543 O LEU A 38 8.756 -4.547 22.660 1.00 0.00 O ATOM 544 CB LEU A 38 9.268 -2.995 25.668 1.00 0.00 C ATOM 545 CG LEU A 38 8.220 -4.006 26.134 1.00 0.00 C ATOM 546 CD1 LEU A 38 8.890 -5.274 26.641 1.00 0.00 C ATOM 547 CD2 LEU A 38 7.336 -3.399 27.213 1.00 0.00 C ATOM 0 H LEU A 38 10.964 -1.499 24.690 1.00 0.00 H new ATOM 0 HA LEU A 38 10.508 -4.227 24.416 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.040 -2.923 26.434 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.794 -2.016 25.599 1.00 0.00 H new ATOM 0 HG LEU A 38 7.591 -4.268 25.283 1.00 0.00 H new ATOM 0 HD11 LEU A 38 8.129 -5.982 26.968 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.479 -5.720 25.839 1.00 0.00 H new ATOM 0 HD13 LEU A 38 9.543 -5.030 27.479 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.596 -4.133 27.533 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.950 -3.108 28.065 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.828 -2.521 26.815 1.00 0.00 H new ATOM 559 N ASP A 39 8.148 -2.403 22.970 1.00 0.00 N ATOM 560 CA ASP A 39 7.108 -2.436 21.948 1.00 0.00 C ATOM 561 C ASP A 39 7.664 -2.944 20.622 1.00 0.00 C ATOM 562 O ASP A 39 7.052 -3.782 19.959 1.00 0.00 O ATOM 563 CB ASP A 39 6.502 -1.043 21.762 1.00 0.00 C ATOM 564 CG ASP A 39 5.193 -1.079 20.997 1.00 0.00 C ATOM 565 OD1 ASP A 39 4.344 -1.938 21.315 1.00 0.00 O ATOM 566 OD2 ASP A 39 5.018 -0.247 20.083 1.00 0.00 O ATOM 0 H ASP A 39 8.246 -1.505 23.443 1.00 0.00 H new ATOM 0 HA ASP A 39 6.328 -3.122 22.280 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.336 -0.589 22.739 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.212 -0.409 21.232 1.00 0.00 H new ATOM 571 N THR A 40 8.829 -2.429 20.238 1.00 0.00 N ATOM 572 CA THR A 40 9.467 -2.828 18.991 1.00 0.00 C ATOM 573 C THR A 40 9.709 -4.333 18.954 1.00 0.00 C ATOM 574 O THR A 40 9.334 -5.009 17.996 1.00 0.00 O ATOM 575 CB THR A 40 10.808 -2.099 18.787 1.00 0.00 C ATOM 576 OG1 THR A 40 10.624 -0.686 18.931 1.00 0.00 O ATOM 577 CG2 THR A 40 11.386 -2.402 17.413 1.00 0.00 C ATOM 0 H THR A 40 9.349 -1.734 20.774 1.00 0.00 H new ATOM 0 HA THR A 40 8.786 -2.552 18.186 1.00 0.00 H new ATOM 0 HB THR A 40 11.507 -2.454 19.544 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.881 -0.236 18.099 1.00 0.00 H new ATOM 0 HG21 THR A 40 12.333 -1.876 17.293 1.00 0.00 H new ATOM 0 HG22 THR A 40 11.552 -3.475 17.317 1.00 0.00 H new ATOM 0 HG23 THR A 40 10.688 -2.073 16.644 1.00 0.00 H new ATOM 585 N VAL A 41 10.338 -4.852 20.004 1.00 0.00 N ATOM 586 CA VAL A 41 10.629 -6.278 20.092 1.00 0.00 C ATOM 587 C VAL A 41 9.360 -7.109 19.937 1.00 0.00 C ATOM 588 O VAL A 41 9.295 -8.009 19.101 1.00 0.00 O ATOM 589 CB VAL A 41 11.300 -6.632 21.433 1.00 0.00 C ATOM 590 CG1 VAL A 41 11.574 -8.126 21.515 1.00 0.00 C ATOM 591 CG2 VAL A 41 12.583 -5.835 21.612 1.00 0.00 C ATOM 0 H VAL A 41 10.656 -4.306 20.805 1.00 0.00 H new ATOM 0 HA VAL A 41 11.315 -6.512 19.278 1.00 0.00 H new ATOM 0 HB VAL A 41 10.619 -6.368 22.242 1.00 0.00 H new ATOM 0 HG11 VAL A 41 12.048 -8.357 22.469 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.635 -8.673 21.435 1.00 0.00 H new ATOM 0 HG13 VAL A 41 12.236 -8.420 20.700 1.00 0.00 H new ATOM 0 HG21 VAL A 41 13.044 -6.097 22.564 1.00 0.00 H new ATOM 0 HG22 VAL A 41 13.272 -6.067 20.799 1.00 0.00 H new ATOM 0 HG23 VAL A 41 12.354 -4.769 21.601 1.00 0.00 H new ATOM 601 N GLU A 42 8.353 -6.799 20.748 1.00 0.00 N ATOM 602 CA GLU A 42 7.086 -7.517 20.700 1.00 0.00 C ATOM 603 C GLU A 42 6.532 -7.550 19.279 1.00 0.00 C ATOM 604 O GLU A 42 6.178 -8.611 18.762 1.00 0.00 O ATOM 605 CB GLU A 42 6.069 -6.866 21.640 1.00 0.00 C ATOM 606 CG GLU A 42 6.433 -6.991 23.111 1.00 0.00 C ATOM 607 CD GLU A 42 5.907 -8.268 23.736 1.00 0.00 C ATOM 608 OE1 GLU A 42 6.427 -9.352 23.398 1.00 0.00 O ATOM 609 OE2 GLU A 42 4.975 -8.184 24.563 1.00 0.00 O ATOM 0 H GLU A 42 8.391 -6.056 21.445 1.00 0.00 H new ATOM 0 HA GLU A 42 7.267 -8.542 21.025 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.976 -5.810 21.386 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.092 -7.321 21.476 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.517 -6.959 23.217 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.034 -6.134 23.654 1.00 0.00 H new ATOM 616 N LEU A 43 6.459 -6.381 18.652 1.00 0.00 N ATOM 617 CA LEU A 43 5.948 -6.274 17.290 1.00 0.00 C ATOM 618 C LEU A 43 6.740 -7.166 16.339 1.00 0.00 C ATOM 619 O LEU A 43 6.166 -7.948 15.582 1.00 0.00 O ATOM 620 CB LEU A 43 6.009 -4.821 16.814 1.00 0.00 C ATOM 621 CG LEU A 43 4.678 -4.069 16.782 1.00 0.00 C ATOM 622 CD1 LEU A 43 4.027 -4.078 18.156 1.00 0.00 C ATOM 623 CD2 LEU A 43 4.883 -2.642 16.297 1.00 0.00 C ATOM 0 H LEU A 43 6.747 -5.494 19.065 1.00 0.00 H new ATOM 0 HA LEU A 43 4.910 -6.607 17.291 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.696 -4.276 17.462 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.436 -4.806 15.811 1.00 0.00 H new ATOM 0 HG LEU A 43 4.013 -4.577 16.084 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.081 -3.538 18.114 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.844 -5.107 18.465 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.689 -3.595 18.875 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.925 -2.122 16.281 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.566 -2.124 16.970 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.305 -2.656 15.292 1.00 0.00 H new ATOM 635 N VAL A 44 8.063 -7.044 16.385 1.00 0.00 N ATOM 636 CA VAL A 44 8.935 -7.841 15.531 1.00 0.00 C ATOM 637 C VAL A 44 8.602 -9.325 15.638 1.00 0.00 C ATOM 638 O VAL A 44 8.410 -10.003 14.629 1.00 0.00 O ATOM 639 CB VAL A 44 10.418 -7.632 15.891 1.00 0.00 C ATOM 640 CG1 VAL A 44 11.308 -8.492 15.008 1.00 0.00 C ATOM 641 CG2 VAL A 44 10.792 -6.163 15.769 1.00 0.00 C ATOM 0 H VAL A 44 8.554 -6.400 17.005 1.00 0.00 H new ATOM 0 HA VAL A 44 8.767 -7.506 14.507 1.00 0.00 H new ATOM 0 HB VAL A 44 10.570 -7.938 16.926 1.00 0.00 H new ATOM 0 HG11 VAL A 44 12.352 -8.331 15.277 1.00 0.00 H new ATOM 0 HG12 VAL A 44 11.055 -9.543 15.150 1.00 0.00 H new ATOM 0 HG13 VAL A 44 11.156 -8.220 13.963 1.00 0.00 H new ATOM 0 HG21 VAL A 44 11.843 -6.033 16.027 1.00 0.00 H new ATOM 0 HG22 VAL A 44 10.625 -5.829 14.745 1.00 0.00 H new ATOM 0 HG23 VAL A 44 10.176 -5.573 16.448 1.00 0.00 H new ATOM 651 N MET A 45 8.534 -9.823 16.869 1.00 0.00 N ATOM 652 CA MET A 45 8.222 -11.228 17.108 1.00 0.00 C ATOM 653 C MET A 45 6.872 -11.595 16.502 1.00 0.00 C ATOM 654 O MET A 45 6.740 -12.619 15.832 1.00 0.00 O ATOM 655 CB MET A 45 8.219 -11.523 18.609 1.00 0.00 C ATOM 656 CG MET A 45 9.588 -11.399 19.256 1.00 0.00 C ATOM 657 SD MET A 45 10.566 -12.907 19.106 1.00 0.00 S ATOM 658 CE MET A 45 9.609 -14.033 20.118 1.00 0.00 C ATOM 0 H MET A 45 8.691 -9.275 17.715 1.00 0.00 H new ATOM 0 HA MET A 45 8.991 -11.833 16.628 1.00 0.00 H new ATOM 0 HB2 MET A 45 7.529 -10.839 19.104 1.00 0.00 H new ATOM 0 HB3 MET A 45 7.839 -12.532 18.772 1.00 0.00 H new ATOM 0 HG2 MET A 45 10.129 -10.572 18.796 1.00 0.00 H new ATOM 0 HG3 MET A 45 9.466 -11.153 20.311 1.00 0.00 H new ATOM 0 HE1 MET A 45 10.257 -14.826 20.492 1.00 0.00 H new ATOM 0 HE2 MET A 45 9.178 -13.490 20.959 1.00 0.00 H new ATOM 0 HE3 MET A 45 8.809 -14.469 19.520 1.00 0.00 H new ATOM 668 N ALA A 46 5.871 -10.754 16.743 1.00 0.00 N ATOM 669 CA ALA A 46 4.532 -10.991 16.219 1.00 0.00 C ATOM 670 C ALA A 46 4.562 -11.205 14.710 1.00 0.00 C ATOM 671 O ALA A 46 4.085 -12.222 14.207 1.00 0.00 O ATOM 672 CB ALA A 46 3.615 -9.828 16.571 1.00 0.00 C ATOM 0 H ALA A 46 5.963 -9.903 17.298 1.00 0.00 H new ATOM 0 HA ALA A 46 4.144 -11.899 16.680 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.618 -10.018 16.174 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.560 -9.723 17.655 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.010 -8.909 16.137 1.00 0.00 H new ATOM 678 N PHE A 47 5.126 -10.240 13.991 1.00 0.00 N ATOM 679 CA PHE A 47 5.217 -10.322 12.538 1.00 0.00 C ATOM 680 C PHE A 47 6.045 -11.531 12.113 1.00 0.00 C ATOM 681 O PHE A 47 5.763 -12.162 11.095 1.00 0.00 O ATOM 682 CB PHE A 47 5.833 -9.042 11.971 1.00 0.00 C ATOM 683 CG PHE A 47 5.236 -7.786 12.539 1.00 0.00 C ATOM 684 CD1 PHE A 47 3.863 -7.651 12.664 1.00 0.00 C ATOM 685 CD2 PHE A 47 6.048 -6.741 12.948 1.00 0.00 C ATOM 686 CE1 PHE A 47 3.311 -6.497 13.185 1.00 0.00 C ATOM 687 CE2 PHE A 47 5.502 -5.584 13.471 1.00 0.00 C ATOM 688 CZ PHE A 47 4.131 -5.462 13.591 1.00 0.00 C ATOM 0 H PHE A 47 5.527 -9.392 14.391 1.00 0.00 H new ATOM 0 HA PHE A 47 4.208 -10.437 12.141 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.905 -9.046 12.168 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.708 -9.037 10.888 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.217 -8.457 12.350 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.120 -6.831 12.857 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.239 -6.404 13.275 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.146 -4.776 13.785 1.00 0.00 H new ATOM 0 HZ PHE A 47 3.702 -4.560 14.001 1.00 0.00 H new ATOM 698 N GLU A 48 7.069 -11.845 12.900 1.00 0.00 N ATOM 699 CA GLU A 48 7.940 -12.977 12.604 1.00 0.00 C ATOM 700 C GLU A 48 7.144 -14.278 12.558 1.00 0.00 C ATOM 701 O GLU A 48 7.254 -15.052 11.608 1.00 0.00 O ATOM 702 CB GLU A 48 9.050 -13.082 13.651 1.00 0.00 C ATOM 703 CG GLU A 48 10.413 -13.409 13.062 1.00 0.00 C ATOM 704 CD GLU A 48 11.461 -13.668 14.127 1.00 0.00 C ATOM 705 OE1 GLU A 48 11.388 -13.032 15.199 1.00 0.00 O ATOM 706 OE2 GLU A 48 12.355 -14.506 13.887 1.00 0.00 O ATOM 0 H GLU A 48 7.316 -11.332 13.747 1.00 0.00 H new ATOM 0 HA GLU A 48 8.389 -12.811 11.625 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.115 -12.140 14.195 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.783 -13.851 14.376 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.327 -14.287 12.421 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.739 -12.583 12.430 1.00 0.00 H new ATOM 713 N GLU A 49 6.342 -14.512 13.593 1.00 0.00 N ATOM 714 CA GLU A 49 5.529 -15.720 13.672 1.00 0.00 C ATOM 715 C GLU A 49 4.340 -15.638 12.720 1.00 0.00 C ATOM 716 O GLU A 49 3.826 -16.658 12.264 1.00 0.00 O ATOM 717 CB GLU A 49 5.036 -15.937 15.104 1.00 0.00 C ATOM 718 CG GLU A 49 4.379 -17.289 15.323 1.00 0.00 C ATOM 719 CD GLU A 49 3.910 -17.485 16.751 1.00 0.00 C ATOM 720 OE1 GLU A 49 3.320 -16.540 17.317 1.00 0.00 O ATOM 721 OE2 GLU A 49 4.132 -18.583 17.304 1.00 0.00 O ATOM 0 H GLU A 49 6.238 -13.881 14.388 1.00 0.00 H new ATOM 0 HA GLU A 49 6.151 -16.566 13.378 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.878 -15.837 15.788 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.324 -15.151 15.357 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.529 -17.389 14.648 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.085 -18.078 15.065 1.00 0.00 H new ATOM 728 N GLU A 50 3.907 -14.415 12.426 1.00 0.00 N ATOM 729 CA GLU A 50 2.778 -14.200 11.530 1.00 0.00 C ATOM 730 C GLU A 50 3.115 -14.650 10.111 1.00 0.00 C ATOM 731 O GLU A 50 2.342 -15.366 9.475 1.00 0.00 O ATOM 732 CB GLU A 50 2.375 -12.724 11.526 1.00 0.00 C ATOM 733 CG GLU A 50 0.927 -12.489 11.128 1.00 0.00 C ATOM 734 CD GLU A 50 -0.053 -13.139 12.085 1.00 0.00 C ATOM 735 OE1 GLU A 50 0.330 -13.395 13.245 1.00 0.00 O ATOM 736 OE2 GLU A 50 -1.205 -13.390 11.673 1.00 0.00 O ATOM 0 H GLU A 50 4.321 -13.559 12.796 1.00 0.00 H new ATOM 0 HA GLU A 50 1.941 -14.797 11.893 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.542 -12.308 12.520 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.024 -12.181 10.840 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.734 -11.417 11.089 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.762 -12.880 10.124 1.00 0.00 H new ATOM 743 N PHE A 51 4.275 -14.224 9.622 1.00 0.00 N ATOM 744 CA PHE A 51 4.715 -14.581 8.278 1.00 0.00 C ATOM 745 C PHE A 51 5.478 -15.903 8.289 1.00 0.00 C ATOM 746 O PHE A 51 5.547 -16.601 7.278 1.00 0.00 O ATOM 747 CB PHE A 51 5.597 -13.475 7.697 1.00 0.00 C ATOM 748 CG PHE A 51 4.826 -12.267 7.246 1.00 0.00 C ATOM 749 CD1 PHE A 51 4.201 -11.445 8.169 1.00 0.00 C ATOM 750 CD2 PHE A 51 4.726 -11.955 5.900 1.00 0.00 C ATOM 751 CE1 PHE A 51 3.490 -10.333 7.758 1.00 0.00 C ATOM 752 CE2 PHE A 51 4.018 -10.844 5.483 1.00 0.00 C ATOM 753 CZ PHE A 51 3.398 -10.033 6.413 1.00 0.00 C ATOM 0 H PHE A 51 4.927 -13.631 10.136 1.00 0.00 H new ATOM 0 HA PHE A 51 3.831 -14.697 7.652 1.00 0.00 H new ATOM 0 HB2 PHE A 51 6.326 -13.171 8.448 1.00 0.00 H new ATOM 0 HB3 PHE A 51 6.157 -13.875 6.852 1.00 0.00 H new ATOM 0 HD1 PHE A 51 4.270 -11.675 9.222 1.00 0.00 H new ATOM 0 HD2 PHE A 51 5.207 -12.587 5.168 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.007 -9.700 8.488 1.00 0.00 H new ATOM 0 HE2 PHE A 51 3.950 -10.610 4.431 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.842 -9.166 6.089 1.00 0.00 H new ATOM 763 N GLY A 52 6.050 -16.240 9.441 1.00 0.00 N ATOM 764 CA GLY A 52 6.801 -17.476 9.563 1.00 0.00 C ATOM 765 C GLY A 52 8.246 -17.321 9.132 1.00 0.00 C ATOM 766 O GLY A 52 8.725 -18.054 8.267 1.00 0.00 O ATOM 0 H GLY A 52 6.007 -15.679 10.292 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.768 -17.817 10.598 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.325 -18.248 8.958 1.00 0.00 H new ATOM 770 N VAL A 53 8.942 -16.363 9.735 1.00 0.00 N ATOM 771 CA VAL A 53 10.341 -16.114 9.408 1.00 0.00 C ATOM 772 C VAL A 53 11.233 -16.299 10.631 1.00 0.00 C ATOM 773 O VAL A 53 10.744 -16.449 11.750 1.00 0.00 O ATOM 774 CB VAL A 53 10.542 -14.693 8.850 1.00 0.00 C ATOM 775 CG1 VAL A 53 9.793 -14.523 7.536 1.00 0.00 C ATOM 776 CG2 VAL A 53 10.095 -13.653 9.866 1.00 0.00 C ATOM 0 H VAL A 53 8.560 -15.747 10.452 1.00 0.00 H new ATOM 0 HA VAL A 53 10.622 -16.839 8.644 1.00 0.00 H new ATOM 0 HB VAL A 53 11.604 -14.545 8.656 1.00 0.00 H new ATOM 0 HG11 VAL A 53 9.947 -13.513 7.157 1.00 0.00 H new ATOM 0 HG12 VAL A 53 10.166 -15.244 6.809 1.00 0.00 H new ATOM 0 HG13 VAL A 53 8.728 -14.691 7.700 1.00 0.00 H new ATOM 0 HG21 VAL A 53 10.244 -12.655 9.455 1.00 0.00 H new ATOM 0 HG22 VAL A 53 9.039 -13.797 10.094 1.00 0.00 H new ATOM 0 HG23 VAL A 53 10.681 -13.761 10.779 1.00 0.00 H new ATOM 786 N GLU A 54 12.543 -16.287 10.408 1.00 0.00 N ATOM 787 CA GLU A 54 13.503 -16.453 11.493 1.00 0.00 C ATOM 788 C GLU A 54 14.627 -15.426 11.387 1.00 0.00 C ATOM 789 O GLU A 54 15.495 -15.527 10.520 1.00 0.00 O ATOM 790 CB GLU A 54 14.087 -17.868 11.474 1.00 0.00 C ATOM 791 CG GLU A 54 13.056 -18.955 11.726 1.00 0.00 C ATOM 792 CD GLU A 54 13.687 -20.280 12.109 1.00 0.00 C ATOM 793 OE1 GLU A 54 14.901 -20.449 11.870 1.00 0.00 O ATOM 794 OE2 GLU A 54 12.967 -21.147 12.646 1.00 0.00 O ATOM 0 H GLU A 54 12.964 -16.164 9.487 1.00 0.00 H new ATOM 0 HA GLU A 54 12.979 -16.296 12.436 1.00 0.00 H new ATOM 0 HB2 GLU A 54 14.559 -18.044 10.508 1.00 0.00 H new ATOM 0 HB3 GLU A 54 14.870 -17.939 12.229 1.00 0.00 H new ATOM 0 HG2 GLU A 54 12.382 -18.634 12.521 1.00 0.00 H new ATOM 0 HG3 GLU A 54 12.450 -19.091 10.830 1.00 0.00 H new ATOM 801 N ILE A 55 14.603 -14.439 12.276 1.00 0.00 N ATOM 802 CA ILE A 55 15.619 -13.394 12.284 1.00 0.00 C ATOM 803 C ILE A 55 16.265 -13.266 13.659 1.00 0.00 C ATOM 804 O ILE A 55 15.683 -13.626 14.683 1.00 0.00 O ATOM 805 CB ILE A 55 15.028 -12.031 11.878 1.00 0.00 C ATOM 806 CG1 ILE A 55 13.708 -11.785 12.610 1.00 0.00 C ATOM 807 CG2 ILE A 55 14.825 -11.970 10.371 1.00 0.00 C ATOM 808 CD1 ILE A 55 13.424 -10.322 12.869 1.00 0.00 C ATOM 0 H ILE A 55 13.891 -14.341 13.000 1.00 0.00 H new ATOM 0 HA ILE A 55 16.376 -13.684 11.555 1.00 0.00 H new ATOM 0 HB ILE A 55 15.730 -11.247 12.162 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.892 -12.207 12.023 1.00 0.00 H new ATOM 0 HG13 ILE A 55 13.725 -12.317 13.561 1.00 0.00 H new ATOM 0 HG21 ILE A 55 14.407 -11.001 10.099 1.00 0.00 H new ATOM 0 HG22 ILE A 55 15.783 -12.105 9.869 1.00 0.00 H new ATOM 0 HG23 ILE A 55 14.140 -12.760 10.064 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.472 -10.223 13.391 1.00 0.00 H new ATOM 0 HD12 ILE A 55 14.220 -9.900 13.482 1.00 0.00 H new ATOM 0 HD13 ILE A 55 13.375 -9.787 11.920 1.00 0.00 H new ATOM 820 N PRO A 56 17.499 -12.739 13.687 1.00 0.00 N ATOM 821 CA PRO A 56 18.250 -12.548 14.931 1.00 0.00 C ATOM 822 C PRO A 56 17.655 -11.450 15.805 1.00 0.00 C ATOM 823 O PRO A 56 16.899 -10.604 15.327 1.00 0.00 O ATOM 824 CB PRO A 56 19.645 -12.147 14.444 1.00 0.00 C ATOM 825 CG PRO A 56 19.420 -11.547 13.100 1.00 0.00 C ATOM 826 CD PRO A 56 18.254 -12.288 12.506 1.00 0.00 C ATOM 0 HA PRO A 56 18.241 -13.442 15.554 1.00 0.00 H new ATOM 0 HB2 PRO A 56 20.111 -11.433 15.123 1.00 0.00 H new ATOM 0 HB3 PRO A 56 20.307 -13.011 14.386 1.00 0.00 H new ATOM 0 HG2 PRO A 56 19.206 -10.481 13.179 1.00 0.00 H new ATOM 0 HG3 PRO A 56 20.307 -11.648 12.474 1.00 0.00 H new ATOM 0 HD2 PRO A 56 17.652 -11.643 11.866 1.00 0.00 H new ATOM 0 HD3 PRO A 56 18.582 -13.128 11.894 1.00 0.00 H new ATOM 834 N ASP A 57 18.001 -11.468 17.088 1.00 0.00 N ATOM 835 CA ASP A 57 17.502 -10.472 18.029 1.00 0.00 C ATOM 836 C ASP A 57 18.178 -9.124 17.802 1.00 0.00 C ATOM 837 O ASP A 57 17.626 -8.077 18.142 1.00 0.00 O ATOM 838 CB ASP A 57 17.734 -10.937 19.467 1.00 0.00 C ATOM 839 CG ASP A 57 16.747 -12.004 19.897 1.00 0.00 C ATOM 840 OD1 ASP A 57 16.126 -12.630 19.012 1.00 0.00 O ATOM 841 OD2 ASP A 57 16.595 -12.214 21.119 1.00 0.00 O ATOM 0 H ASP A 57 18.625 -12.162 17.500 1.00 0.00 H new ATOM 0 HA ASP A 57 16.431 -10.354 17.862 1.00 0.00 H new ATOM 0 HB2 ASP A 57 18.748 -11.325 19.561 1.00 0.00 H new ATOM 0 HB3 ASP A 57 17.656 -10.082 20.139 1.00 0.00 H new ATOM 846 N ASP A 58 19.375 -9.157 17.227 1.00 0.00 N ATOM 847 CA ASP A 58 20.126 -7.937 16.954 1.00 0.00 C ATOM 848 C ASP A 58 19.472 -7.134 15.834 1.00 0.00 C ATOM 849 O ASP A 58 19.248 -5.931 15.968 1.00 0.00 O ATOM 850 CB ASP A 58 21.570 -8.275 16.580 1.00 0.00 C ATOM 851 CG ASP A 58 22.519 -7.119 16.831 1.00 0.00 C ATOM 852 OD1 ASP A 58 22.100 -5.957 16.649 1.00 0.00 O ATOM 853 OD2 ASP A 58 23.681 -7.377 17.210 1.00 0.00 O ATOM 0 H ASP A 58 19.846 -10.015 16.941 1.00 0.00 H new ATOM 0 HA ASP A 58 20.125 -7.330 17.859 1.00 0.00 H new ATOM 0 HB2 ASP A 58 21.898 -9.142 17.154 1.00 0.00 H new ATOM 0 HB3 ASP A 58 21.614 -8.555 15.528 1.00 0.00 H new ATOM 858 N ALA A 59 19.169 -7.808 14.730 1.00 0.00 N ATOM 859 CA ALA A 59 18.539 -7.158 13.587 1.00 0.00 C ATOM 860 C ALA A 59 17.236 -6.477 13.992 1.00 0.00 C ATOM 861 O ALA A 59 16.794 -5.527 13.345 1.00 0.00 O ATOM 862 CB ALA A 59 18.287 -8.168 12.478 1.00 0.00 C ATOM 0 H ALA A 59 19.349 -8.804 14.602 1.00 0.00 H new ATOM 0 HA ALA A 59 19.219 -6.391 13.216 1.00 0.00 H new ATOM 0 HB1 ALA A 59 17.816 -7.669 11.631 1.00 0.00 H new ATOM 0 HB2 ALA A 59 19.234 -8.604 12.161 1.00 0.00 H new ATOM 0 HB3 ALA A 59 17.630 -8.956 12.846 1.00 0.00 H new ATOM 868 N ALA A 60 16.626 -6.968 15.065 1.00 0.00 N ATOM 869 CA ALA A 60 15.374 -6.406 15.556 1.00 0.00 C ATOM 870 C ALA A 60 15.581 -4.995 16.098 1.00 0.00 C ATOM 871 O ALA A 60 14.649 -4.193 16.136 1.00 0.00 O ATOM 872 CB ALA A 60 14.778 -7.303 16.630 1.00 0.00 C ATOM 0 H ALA A 60 16.978 -7.754 15.611 1.00 0.00 H new ATOM 0 HA ALA A 60 14.678 -6.348 14.719 1.00 0.00 H new ATOM 0 HB1 ALA A 60 13.843 -6.871 16.988 1.00 0.00 H new ATOM 0 HB2 ALA A 60 14.585 -8.291 16.213 1.00 0.00 H new ATOM 0 HB3 ALA A 60 15.478 -7.391 17.461 1.00 0.00 H new ATOM 878 N GLU A 61 16.808 -4.701 16.516 1.00 0.00 N ATOM 879 CA GLU A 61 17.136 -3.387 17.057 1.00 0.00 C ATOM 880 C GLU A 61 17.191 -2.340 15.948 1.00 0.00 C ATOM 881 O GLU A 61 16.997 -1.149 16.192 1.00 0.00 O ATOM 882 CB GLU A 61 18.475 -3.434 17.796 1.00 0.00 C ATOM 883 CG GLU A 61 18.425 -4.218 19.097 1.00 0.00 C ATOM 884 CD GLU A 61 17.270 -3.800 19.986 1.00 0.00 C ATOM 885 OE1 GLU A 61 17.242 -2.627 20.410 1.00 0.00 O ATOM 886 OE2 GLU A 61 16.393 -4.648 20.256 1.00 0.00 O ATOM 0 H GLU A 61 17.591 -5.354 16.490 1.00 0.00 H new ATOM 0 HA GLU A 61 16.351 -3.106 17.760 1.00 0.00 H new ATOM 0 HB2 GLU A 61 19.226 -3.878 17.142 1.00 0.00 H new ATOM 0 HB3 GLU A 61 18.800 -2.415 18.008 1.00 0.00 H new ATOM 0 HG2 GLU A 61 18.340 -5.281 18.873 1.00 0.00 H new ATOM 0 HG3 GLU A 61 19.362 -4.080 19.636 1.00 0.00 H new ATOM 893 N THR A 62 17.457 -2.794 14.727 1.00 0.00 N ATOM 894 CA THR A 62 17.540 -1.898 13.580 1.00 0.00 C ATOM 895 C THR A 62 16.152 -1.494 13.097 1.00 0.00 C ATOM 896 O THR A 62 15.997 -0.500 12.386 1.00 0.00 O ATOM 897 CB THR A 62 18.308 -2.549 12.414 1.00 0.00 C ATOM 898 OG1 THR A 62 17.500 -3.559 11.799 1.00 0.00 O ATOM 899 CG2 THR A 62 19.613 -3.161 12.899 1.00 0.00 C ATOM 0 H THR A 62 17.619 -3.777 14.507 1.00 0.00 H new ATOM 0 HA THR A 62 18.079 -1.010 13.910 1.00 0.00 H new ATOM 0 HB THR A 62 18.539 -1.774 11.683 1.00 0.00 H new ATOM 0 HG1 THR A 62 17.381 -4.307 12.421 1.00 0.00 H new ATOM 0 HG21 THR A 62 20.137 -3.614 12.058 1.00 0.00 H new ATOM 0 HG22 THR A 62 20.238 -2.384 13.339 1.00 0.00 H new ATOM 0 HG23 THR A 62 19.401 -3.924 13.648 1.00 0.00 H new ATOM 907 N ILE A 63 15.146 -2.269 13.487 1.00 0.00 N ATOM 908 CA ILE A 63 13.770 -1.989 13.095 1.00 0.00 C ATOM 909 C ILE A 63 13.173 -0.870 13.942 1.00 0.00 C ATOM 910 O ILE A 63 12.632 -1.115 15.022 1.00 0.00 O ATOM 911 CB ILE A 63 12.883 -3.241 13.220 1.00 0.00 C ATOM 912 CG1 ILE A 63 13.435 -4.373 12.351 1.00 0.00 C ATOM 913 CG2 ILE A 63 11.449 -2.916 12.828 1.00 0.00 C ATOM 914 CD1 ILE A 63 12.624 -5.647 12.431 1.00 0.00 C ATOM 0 H ILE A 63 15.258 -3.096 14.074 1.00 0.00 H new ATOM 0 HA ILE A 63 13.797 -1.676 12.051 1.00 0.00 H new ATOM 0 HB ILE A 63 12.889 -3.570 14.259 1.00 0.00 H new ATOM 0 HG12 ILE A 63 13.471 -4.039 11.314 1.00 0.00 H new ATOM 0 HG13 ILE A 63 14.461 -4.585 12.653 1.00 0.00 H new ATOM 0 HG21 ILE A 63 10.834 -3.811 12.922 1.00 0.00 H new ATOM 0 HG22 ILE A 63 11.060 -2.138 13.485 1.00 0.00 H new ATOM 0 HG23 ILE A 63 11.424 -2.565 11.796 1.00 0.00 H new ATOM 0 HD11 ILE A 63 13.074 -6.405 11.790 1.00 0.00 H new ATOM 0 HD12 ILE A 63 12.609 -6.005 13.461 1.00 0.00 H new ATOM 0 HD13 ILE A 63 11.604 -5.450 12.100 1.00 0.00 H new ATOM 926 N LEU A 64 13.274 0.358 13.446 1.00 0.00 N ATOM 927 CA LEU A 64 12.742 1.516 14.157 1.00 0.00 C ATOM 928 C LEU A 64 11.531 2.091 13.431 1.00 0.00 C ATOM 929 O LEU A 64 10.460 2.254 14.018 1.00 0.00 O ATOM 930 CB LEU A 64 13.822 2.590 14.301 1.00 0.00 C ATOM 931 CG LEU A 64 15.230 2.088 14.622 1.00 0.00 C ATOM 932 CD1 LEU A 64 16.235 3.226 14.537 1.00 0.00 C ATOM 933 CD2 LEU A 64 15.265 1.445 16.001 1.00 0.00 C ATOM 0 H LEU A 64 13.719 0.578 12.555 1.00 0.00 H new ATOM 0 HA LEU A 64 12.427 1.190 15.148 1.00 0.00 H new ATOM 0 HB2 LEU A 64 13.864 3.161 13.373 1.00 0.00 H new ATOM 0 HB3 LEU A 64 13.516 3.281 15.087 1.00 0.00 H new ATOM 0 HG LEU A 64 15.503 1.334 13.884 1.00 0.00 H new ATOM 0 HD11 LEU A 64 17.231 2.850 14.769 1.00 0.00 H new ATOM 0 HD12 LEU A 64 16.229 3.642 13.529 1.00 0.00 H new ATOM 0 HD13 LEU A 64 15.966 4.003 15.252 1.00 0.00 H new ATOM 0 HD21 LEU A 64 16.275 1.093 16.213 1.00 0.00 H new ATOM 0 HD22 LEU A 64 14.971 2.178 16.752 1.00 0.00 H new ATOM 0 HD23 LEU A 64 14.574 0.602 16.027 1.00 0.00 H new ATOM 945 N THR A 65 11.705 2.397 12.149 1.00 0.00 N ATOM 946 CA THR A 65 10.626 2.952 11.342 1.00 0.00 C ATOM 947 C THR A 65 9.817 1.849 10.670 1.00 0.00 C ATOM 948 O THR A 65 10.309 0.737 10.472 1.00 0.00 O ATOM 949 CB THR A 65 11.168 3.907 10.261 1.00 0.00 C ATOM 950 OG1 THR A 65 12.348 3.355 9.667 1.00 0.00 O ATOM 951 CG2 THR A 65 11.482 5.272 10.853 1.00 0.00 C ATOM 0 H THR A 65 12.584 2.270 11.647 1.00 0.00 H new ATOM 0 HA THR A 65 9.980 3.510 12.020 1.00 0.00 H new ATOM 0 HB THR A 65 10.400 4.029 9.497 1.00 0.00 H new ATOM 0 HG1 THR A 65 12.685 3.967 8.980 1.00 0.00 H new ATOM 0 HG21 THR A 65 11.863 5.929 10.071 1.00 0.00 H new ATOM 0 HG22 THR A 65 10.575 5.702 11.278 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.234 5.165 11.635 1.00 0.00 H new ATOM 959 N VAL A 66 8.574 2.162 10.320 1.00 0.00 N ATOM 960 CA VAL A 66 7.697 1.197 9.668 1.00 0.00 C ATOM 961 C VAL A 66 8.375 0.570 8.455 1.00 0.00 C ATOM 962 O VAL A 66 8.361 -0.648 8.283 1.00 0.00 O ATOM 963 CB VAL A 66 6.375 1.850 9.223 1.00 0.00 C ATOM 964 CG1 VAL A 66 5.498 0.841 8.498 1.00 0.00 C ATOM 965 CG2 VAL A 66 5.644 2.441 10.419 1.00 0.00 C ATOM 0 H VAL A 66 8.151 3.077 10.477 1.00 0.00 H new ATOM 0 HA VAL A 66 7.481 0.420 10.402 1.00 0.00 H new ATOM 0 HB VAL A 66 6.605 2.659 8.530 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.569 1.321 8.191 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.022 0.470 7.618 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.274 0.008 9.165 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.712 2.898 10.086 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.424 1.651 11.138 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.271 3.197 10.891 1.00 0.00 H new ATOM 975 N GLY A 67 8.969 1.412 7.615 1.00 0.00 N ATOM 976 CA GLY A 67 9.645 0.922 6.428 1.00 0.00 C ATOM 977 C GLY A 67 10.649 -0.169 6.741 1.00 0.00 C ATOM 978 O GLY A 67 10.860 -1.078 5.938 1.00 0.00 O ATOM 0 H GLY A 67 8.994 2.425 7.735 1.00 0.00 H new ATOM 0 HA2 GLY A 67 8.906 0.540 5.724 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.155 1.750 5.936 1.00 0.00 H new ATOM 982 N ASP A 68 11.272 -0.079 7.911 1.00 0.00 N ATOM 983 CA ASP A 68 12.261 -1.066 8.329 1.00 0.00 C ATOM 984 C ASP A 68 11.600 -2.413 8.608 1.00 0.00 C ATOM 985 O ASP A 68 11.976 -3.431 8.028 1.00 0.00 O ATOM 986 CB ASP A 68 13.003 -0.581 9.575 1.00 0.00 C ATOM 987 CG ASP A 68 14.393 -1.176 9.690 1.00 0.00 C ATOM 988 OD1 ASP A 68 14.497 -2.406 9.881 1.00 0.00 O ATOM 989 OD2 ASP A 68 15.376 -0.412 9.590 1.00 0.00 O ATOM 0 H ASP A 68 11.110 0.667 8.587 1.00 0.00 H new ATOM 0 HA ASP A 68 12.976 -1.193 7.516 1.00 0.00 H new ATOM 0 HB2 ASP A 68 13.077 0.506 9.550 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.425 -0.840 10.462 1.00 0.00 H new ATOM 994 N ALA A 69 10.615 -2.409 9.500 1.00 0.00 N ATOM 995 CA ALA A 69 9.902 -3.630 9.855 1.00 0.00 C ATOM 996 C ALA A 69 9.290 -4.287 8.622 1.00 0.00 C ATOM 997 O ALA A 69 9.446 -5.488 8.404 1.00 0.00 O ATOM 998 CB ALA A 69 8.823 -3.330 10.885 1.00 0.00 C ATOM 0 H ALA A 69 10.293 -1.574 9.990 1.00 0.00 H new ATOM 0 HA ALA A 69 10.619 -4.327 10.288 1.00 0.00 H new ATOM 0 HB1 ALA A 69 8.298 -4.251 11.141 1.00 0.00 H new ATOM 0 HB2 ALA A 69 9.282 -2.912 11.781 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.115 -2.612 10.472 1.00 0.00 H new ATOM 1004 N VAL A 70 8.593 -3.491 7.818 1.00 0.00 N ATOM 1005 CA VAL A 70 7.957 -3.995 6.606 1.00 0.00 C ATOM 1006 C VAL A 70 8.988 -4.585 5.650 1.00 0.00 C ATOM 1007 O VAL A 70 8.868 -5.733 5.221 1.00 0.00 O ATOM 1008 CB VAL A 70 7.176 -2.885 5.879 1.00 0.00 C ATOM 1009 CG1 VAL A 70 6.549 -3.422 4.601 1.00 0.00 C ATOM 1010 CG2 VAL A 70 6.115 -2.293 6.795 1.00 0.00 C ATOM 0 H VAL A 70 8.454 -2.494 7.984 1.00 0.00 H new ATOM 0 HA VAL A 70 7.262 -4.776 6.914 1.00 0.00 H new ATOM 0 HB VAL A 70 7.873 -2.092 5.608 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.001 -2.623 4.101 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.332 -3.794 3.940 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.864 -4.234 4.845 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.573 -1.510 6.265 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.419 -3.075 7.099 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.592 -1.869 7.679 1.00 0.00 H new ATOM 1020 N LYS A 71 10.002 -3.793 5.320 1.00 0.00 N ATOM 1021 CA LYS A 71 11.057 -4.236 4.415 1.00 0.00 C ATOM 1022 C LYS A 71 11.697 -5.527 4.917 1.00 0.00 C ATOM 1023 O LYS A 71 12.090 -6.385 4.126 1.00 0.00 O ATOM 1024 CB LYS A 71 12.124 -3.149 4.271 1.00 0.00 C ATOM 1025 CG LYS A 71 11.727 -2.030 3.323 1.00 0.00 C ATOM 1026 CD LYS A 71 12.754 -0.910 3.322 1.00 0.00 C ATOM 1027 CE LYS A 71 14.075 -1.366 2.722 1.00 0.00 C ATOM 1028 NZ LYS A 71 14.872 -0.221 2.201 1.00 0.00 N ATOM 0 H LYS A 71 10.116 -2.840 5.666 1.00 0.00 H new ATOM 0 HA LYS A 71 10.608 -4.428 3.440 1.00 0.00 H new ATOM 0 HB2 LYS A 71 12.334 -2.725 5.253 1.00 0.00 H new ATOM 0 HB3 LYS A 71 13.049 -3.604 3.916 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.620 -2.428 2.314 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.754 -1.633 3.614 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.369 -0.062 2.755 1.00 0.00 H new ATOM 0 HD3 LYS A 71 12.917 -0.563 4.342 1.00 0.00 H new ATOM 0 HE2 LYS A 71 14.653 -1.897 3.478 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.883 -2.072 1.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 15.765 -0.573 1.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.331 0.271 1.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 15.078 0.440 2.977 1.00 0.00 H new ATOM 1042 N PHE A 72 11.796 -5.659 6.236 1.00 0.00 N ATOM 1043 CA PHE A 72 12.388 -6.846 6.842 1.00 0.00 C ATOM 1044 C PHE A 72 11.518 -8.075 6.595 1.00 0.00 C ATOM 1045 O PHE A 72 11.976 -9.070 6.033 1.00 0.00 O ATOM 1046 CB PHE A 72 12.577 -6.635 8.346 1.00 0.00 C ATOM 1047 CG PHE A 72 13.834 -7.255 8.885 1.00 0.00 C ATOM 1048 CD1 PHE A 72 14.198 -8.543 8.524 1.00 0.00 C ATOM 1049 CD2 PHE A 72 14.653 -6.550 9.752 1.00 0.00 C ATOM 1050 CE1 PHE A 72 15.355 -9.116 9.018 1.00 0.00 C ATOM 1051 CE2 PHE A 72 15.811 -7.118 10.249 1.00 0.00 C ATOM 1052 CZ PHE A 72 16.162 -8.402 9.882 1.00 0.00 C ATOM 0 H PHE A 72 11.474 -4.959 6.905 1.00 0.00 H new ATOM 0 HA PHE A 72 13.361 -7.013 6.380 1.00 0.00 H new ATOM 0 HB2 PHE A 72 12.590 -5.565 8.556 1.00 0.00 H new ATOM 0 HB3 PHE A 72 11.720 -7.053 8.874 1.00 0.00 H new ATOM 0 HD1 PHE A 72 13.570 -9.105 7.849 1.00 0.00 H new ATOM 0 HD2 PHE A 72 14.384 -5.545 10.043 1.00 0.00 H new ATOM 0 HE1 PHE A 72 15.627 -10.120 8.729 1.00 0.00 H new ATOM 0 HE2 PHE A 72 16.441 -6.558 10.924 1.00 0.00 H new ATOM 0 HZ PHE A 72 17.066 -8.847 10.270 1.00 0.00 H new ATOM 1062 N ILE A 73 10.261 -7.997 7.019 1.00 0.00 N ATOM 1063 CA ILE A 73 9.326 -9.102 6.843 1.00 0.00 C ATOM 1064 C ILE A 73 9.255 -9.535 5.383 1.00 0.00 C ATOM 1065 O ILE A 73 9.183 -10.726 5.080 1.00 0.00 O ATOM 1066 CB ILE A 73 7.913 -8.726 7.325 1.00 0.00 C ATOM 1067 CG1 ILE A 73 7.940 -8.343 8.806 1.00 0.00 C ATOM 1068 CG2 ILE A 73 6.948 -9.878 7.087 1.00 0.00 C ATOM 1069 CD1 ILE A 73 6.822 -7.408 9.210 1.00 0.00 C ATOM 0 H ILE A 73 9.867 -7.181 7.487 1.00 0.00 H new ATOM 0 HA ILE A 73 9.698 -9.930 7.447 1.00 0.00 H new ATOM 0 HB ILE A 73 7.568 -7.865 6.753 1.00 0.00 H new ATOM 0 HG12 ILE A 73 7.880 -9.250 9.408 1.00 0.00 H new ATOM 0 HG13 ILE A 73 8.896 -7.872 9.034 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.953 -9.597 7.433 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.910 -10.107 6.022 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.288 -10.757 7.635 1.00 0.00 H new ATOM 0 HD11 ILE A 73 6.905 -7.180 10.273 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.893 -6.485 8.634 1.00 0.00 H new ATOM 0 HD13 ILE A 73 5.861 -7.884 9.015 1.00 0.00 H new ATOM 1081 N ASP A 74 9.278 -8.560 4.481 1.00 0.00 N ATOM 1082 CA ASP A 74 9.219 -8.839 3.051 1.00 0.00 C ATOM 1083 C ASP A 74 10.506 -9.503 2.574 1.00 0.00 C ATOM 1084 O ASP A 74 10.476 -10.433 1.768 1.00 0.00 O ATOM 1085 CB ASP A 74 8.975 -7.549 2.267 1.00 0.00 C ATOM 1086 CG ASP A 74 8.532 -7.812 0.841 1.00 0.00 C ATOM 1087 OD1 ASP A 74 7.921 -8.874 0.596 1.00 0.00 O ATOM 1088 OD2 ASP A 74 8.795 -6.957 -0.029 1.00 0.00 O ATOM 0 H ASP A 74 9.337 -7.569 4.715 1.00 0.00 H new ATOM 0 HA ASP A 74 8.390 -9.524 2.874 1.00 0.00 H new ATOM 0 HB2 ASP A 74 8.216 -6.956 2.777 1.00 0.00 H new ATOM 0 HB3 ASP A 74 9.889 -6.955 2.257 1.00 0.00 H new ATOM 1093 N LYS A 75 11.637 -9.019 3.075 1.00 0.00 N ATOM 1094 CA LYS A 75 12.937 -9.564 2.701 1.00 0.00 C ATOM 1095 C LYS A 75 13.067 -11.016 3.151 1.00 0.00 C ATOM 1096 O LYS A 75 13.469 -11.882 2.375 1.00 0.00 O ATOM 1097 CB LYS A 75 14.061 -8.727 3.315 1.00 0.00 C ATOM 1098 CG LYS A 75 15.451 -9.189 2.916 1.00 0.00 C ATOM 1099 CD LYS A 75 16.476 -8.078 3.077 1.00 0.00 C ATOM 1100 CE LYS A 75 16.504 -7.165 1.861 1.00 0.00 C ATOM 1101 NZ LYS A 75 16.935 -7.889 0.634 1.00 0.00 N ATOM 0 H LYS A 75 11.680 -8.249 3.742 1.00 0.00 H new ATOM 0 HA LYS A 75 13.019 -9.529 1.615 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.933 -7.687 3.015 1.00 0.00 H new ATOM 0 HB3 LYS A 75 13.975 -8.759 4.401 1.00 0.00 H new ATOM 0 HG2 LYS A 75 15.741 -10.044 3.527 1.00 0.00 H new ATOM 0 HG3 LYS A 75 15.439 -9.527 1.880 1.00 0.00 H new ATOM 0 HD2 LYS A 75 16.244 -7.493 3.967 1.00 0.00 H new ATOM 0 HD3 LYS A 75 17.464 -8.512 3.230 1.00 0.00 H new ATOM 0 HE2 LYS A 75 15.513 -6.740 1.703 1.00 0.00 H new ATOM 0 HE3 LYS A 75 17.181 -6.332 2.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 17.345 -7.213 -0.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 17.648 -8.603 0.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 16.114 -8.357 0.201 1.00 0.00 H new ATOM 1115 N ALA A 76 12.723 -11.275 4.408 1.00 0.00 N ATOM 1116 CA ALA A 76 12.798 -12.622 4.959 1.00 0.00 C ATOM 1117 C ALA A 76 11.688 -13.506 4.402 1.00 0.00 C ATOM 1118 O ALA A 76 11.823 -14.728 4.346 1.00 0.00 O ATOM 1119 CB ALA A 76 12.727 -12.576 6.478 1.00 0.00 C ATOM 0 H ALA A 76 12.389 -10.569 5.064 1.00 0.00 H new ATOM 0 HA ALA A 76 13.754 -13.055 4.664 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.784 -13.589 6.876 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.559 -11.987 6.863 1.00 0.00 H new ATOM 0 HB3 ALA A 76 11.786 -12.118 6.785 1.00 0.00 H new ATOM 1125 N SER A 77 10.589 -12.880 3.992 1.00 0.00 N ATOM 1126 CA SER A 77 9.453 -13.610 3.443 1.00 0.00 C ATOM 1127 C SER A 77 9.867 -14.419 2.217 1.00 0.00 C ATOM 1128 O SER A 77 9.369 -15.520 1.989 1.00 0.00 O ATOM 1129 CB SER A 77 8.328 -12.642 3.073 1.00 0.00 C ATOM 1130 OG SER A 77 7.436 -12.458 4.158 1.00 0.00 O ATOM 0 H SER A 77 10.462 -11.869 4.030 1.00 0.00 H new ATOM 0 HA SER A 77 9.093 -14.299 4.207 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.752 -11.682 2.780 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.783 -13.026 2.211 1.00 0.00 H new ATOM 0 HG SER A 77 7.801 -11.787 4.772 1.00 0.00 H new ATOM 1136 N ALA A 78 10.783 -13.862 1.431 1.00 0.00 N ATOM 1137 CA ALA A 78 11.267 -14.531 0.230 1.00 0.00 C ATOM 1138 C ALA A 78 12.187 -15.695 0.582 1.00 0.00 C ATOM 1139 O ALA A 78 11.815 -16.860 0.435 1.00 0.00 O ATOM 1140 CB ALA A 78 11.988 -13.540 -0.672 1.00 0.00 C ATOM 0 H ALA A 78 11.204 -12.949 1.605 1.00 0.00 H new ATOM 0 HA ALA A 78 10.406 -14.932 -0.304 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.344 -14.053 -1.565 1.00 0.00 H new ATOM 0 HB2 ALA A 78 11.301 -12.744 -0.960 1.00 0.00 H new ATOM 0 HB3 ALA A 78 12.836 -13.112 -0.137 1.00 0.00 H new